6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

C20H15FN4O2 — CID 30850176

IUPAC6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCc1ccccc1-c1noc(Cn2nc(-c3ccccc3F)ccc2=O)n1
InChIInChI=1S/C20H15FN4O2/c1-13-6-2-3-7-14(13)20-22-18(27-24-20)12-25-19(26)11-10-17(23-25)15-8-4-5-9-16(15)21/h2-11H,12H2,1H3
InChIKeyHKLBFRRMAJIEMI-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.46
Rot. Bonds4

About 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one

6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (PubChem CID 30850176) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
PubChem CID30850176
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC Name6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
SMILESCc1ccccc1-c1noc(Cn2nc(-c3ccccc3F)ccc2=O)n1
InChIInChI=1S/C20H15FN4O2/c1-13-6-2-3-7-14(13)20-22-18(27-24-20)12-25-19(26)11-10-17(23-25)15-8-4-5-9-16(15)21/h2-11H,12H2,1H3
InChIKeyHKLBFRRMAJIEMI-UHFFFAOYSA-N
XLogP3.46
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one (CID 30850176) is 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is Cc1ccccc1-c1noc(Cn2nc(-c3ccccc3F)ccc2=O)n1.
What is the InChIKey of 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
The InChIKey is HKLBFRRMAJIEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-13-6-2-3-7-14(13)20-22-18(27-24-20)12-25-19(26)11-10-17(23-25)15-8-4-5-9-16(15)21/h2-11H,12H2,1H3.
What are the key properties of 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one?
6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one has a molecular weight of 362.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-2-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 30850176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).